Information card for entry 4133752

Structure parameters

• Formula: C20 H32 O3
• Calculated formula: C20 H32 O3
• SMILES: O[C@H]1CCC([C@H]2[C@@]1(CO)C1=C(C2=O)C[C@@](CC1)(C)C(C)C)(C)C
• Title of publication: Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.
• Authors of publication: Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 51
• Pages of publication: 20048 - 20052
• a: 6.1346 ± 0.0004 Å
• b: 22.0981 ± 0.0011 Å
• c: 7.4304 ± 0.0004 Å
• α: 90°
• β: 111.029 ± 0.007°
• γ: 90°
• Cell volume: 940.2 ± 0.1 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No